CID 16227235

2-(1h-1,3-benzodiazol-2-yl)-2-methanesulfonylacetaldehyde

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CS(=O)(=O)C(C=O)C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2O3S/c1-16(14,15)9(6-13)10-11-7-4-2-3-5-8(7)12-10/h2-6,9H,1H3,(H,11,12)
InChIKey
CDMDPRCFRUTREL-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-methylsulfonylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 150.3
[M+Na]+ 261.030428 161.2
[M-H]- 237.033934 152.0
[M+NH4]+ 256.075033 168.2
[M+K]+ 277.004368 157.1
[M+H-H2O]+ 221.038470 144.5
[M+HCOO]- 283.039411 166.1
[M+CH3COO]- 297.055061 184.1
[M+Na-2H]- 259.015876 155.0
[M]+ 238.04066142 154.6
[M]- 238.04175858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe